SCHEMBL4259559

SCHEMBL4259559

Nc1ccccc1Oc1ccccc1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
ALDH1A1 P00352 3/20 0.58
RCE1 Q9Y256 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
IKBKB O14920 1/20 0.53
BRAF P15056 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
ADRA2B P18089 1/20 0.48
PTGS1 P23219 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAOA P21397 1/20 0.48
LTA4H P09960 2/20 0.48
TSHR P16473 1/20 0.48
HRH1 P35367 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30617018 0.95 GAA (0.62) GAAALDH1A1RCE1CYP1A2CYP3A4
SCHEMBL5723 0.95 GAA (0.62) GAAALDH1A1RCE1CYP1A2CYP3A4
SCHEMBL6289853 0.93 GAA (0.64) GAAALDH1A1RCE1CYP1A2CYP3A4
SCHEMBL6293151 0.93 GAA (0.64) GAAALDH1A1RCE1CYP1A2CYP3A4
SCHEMBL6290453 0.93 GAA (0.64) GAAALDH1A1RCE1CYP1A2CYP3A4
Diphenylether SCHEMBL9549269 0.93 GAA (0.60) GAAALDH1A1RCE1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL50730 0.93 GAA (0.60) GAAALDH1A1RCE1CYP1A2CYP3A4
SCHEMBL6289855 0.93 GAA (0.64) GAAALDH1A1RCE1CYP1A2CYP3A4
SCHEMBL6290392 0.93 GAA (0.64) GAAALDH1A1RCE1CYP1A2CYP3A4
SCHEMBL1269990 0.93 GAA (0.64) GAAALDH1A1RCE1CYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384489-A Method for producing organic compound 尤尼吉可株式会社 2021-02-19 CN disclosed
WO-2020009016-A1 METHOD FOR PRODUCING ORGANIC COMPOUND ユニチカ株式会社 2020-01-09 WO disclosed
WO-2009008029-A1 CIRCUIT SUBSTRATE MITSUI CHEMICALS, INC. (JP) 2009-01-15 WO disclosed
WO-2009008030-A1 PROCESS OF PRODUCING COMPOSITE FILM MITSUI CHEMICALS, INC. (JP) 2009-01-15 WO disclosed
EP-0812340-A1 EPOXY RESIN(S) WITH CURING AGENT AND TOUGHENER Hexcel Corporation (US) 1997-12-17 EP disclosed
WO-1997024398-A1 EPOXY RESIN(S) WITH CURING AGENT AND TOUGHENER HEXCEL CORPORATION (US) 1997-07-10 WO disclosed